Data quality metrics extracted from 6zjo.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 6ZJO at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
DIAMOND BEAMLINE I04
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I04
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-05-13
Detector
_diffrn_detector.type
DECTRIS EIGER2 X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97949
Software
Data reduction
_software.classification
xia2
Data scaling
_software.classification
Aimless (0.6.2)
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0189)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
54.671 93.566 68.177 90.00 90.71 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97949 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 47.200 47.200 2.060
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.010 8.990 2.010
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.137 0.035 0.828
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.149 0.038 0.895
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.057 0.015 0.336
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 306023 3490 22827
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 44789 535 3254
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 8.40 38.40 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.2 99.2 97.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.8 6.5 7.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.999 0.594

Refinement
PDB entry ID
_entry.id
6ZJO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-06-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.2 - 2.010 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2241 / 0.2783
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6ZHL